REMARK Name = BDB008355 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.307 -0.981 0.612 0.00 0.00 +0.072 A ATOM 2 C LIG 1 0.609 -2.322 0.820 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -0.196 -3.100 1.556 0.00 0.00 -0.205 F ATOM 4 C LIG 1 1.733 -2.883 0.226 0.00 0.00 +0.039 A ATOM 5 C LIG 1 2.575 -2.088 -0.556 0.00 0.00 +0.007 A ATOM 6 C LIG 1 2.312 -0.718 -0.731 0.00 0.00 -0.041 A ATOM 7 C LIG 1 1.160 -0.170 -0.146 0.00 0.00 +0.020 A ENDROOT BRANCH 1 11 ATOM 8 C LIG 1 -2.274 -1.877 -1.259 0.00 0.00 +0.036 C ATOM 9 C LIG 1 -2.198 -0.395 -0.870 0.00 0.00 +0.141 C ATOM 10 N LIG 1 -2.058 -0.197 0.590 0.00 0.00 -0.285 N ATOM 11 C LIG 1 -0.853 -0.388 1.285 0.00 0.00 +0.250 C ATOM 12 O LIG 1 -0.681 -0.028 2.448 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 -3.039 0.643 1.288 0.00 0.00 +0.136 C ATOM 14 C LIG 1 -4.509 0.523 0.804 0.00 0.00 +0.059 C ATOM 15 C LIG 1 -5.094 -0.836 1.226 0.00 0.00 +0.036 C ATOM 16 C LIG 1 -5.282 1.647 1.525 0.00 0.00 +0.036 C ATOM 17 N LIG 1 -4.505 0.653 -0.654 0.00 0.00 -0.299 N ATOM 18 C LIG 1 -5.449 1.100 -1.551 0.00 0.00 +0.238 A ATOM 19 N LIG 1 -4.897 1.120 -2.753 0.00 0.00 -0.125 NA ATOM 20 N LIG 1 -3.629 0.623 -2.664 0.00 0.00 -0.132 NA ATOM 21 C LIG 1 -3.410 0.298 -1.410 0.00 0.00 +0.155 A BRANCH 18 22 ATOM 22 C LIG 1 -6.848 1.488 -1.241 0.00 0.00 +0.452 C ATOM 23 F LIG 1 -7.452 0.591 -0.417 0.00 0.00 -0.163 F ATOM 24 F LIG 1 -7.632 1.577 -2.345 0.00 0.00 -0.163 F ATOM 25 F LIG 1 -6.914 2.694 -0.620 0.00 0.00 -0.163 F ENDBRANCH 18 22 ENDBRANCH 1 11 BRANCH 6 26 ATOM 26 C LIG 1 3.227 0.150 -1.568 0.00 0.00 +0.093 C BRANCH 26 27 ATOM 27 C LIG 1 4.704 -0.022 -1.238 0.00 0.00 +0.074 A ATOM 28 C LIG 1 5.274 0.603 -0.016 0.00 0.00 +0.011 A ATOM 29 C LIG 1 6.630 0.395 0.230 0.00 0.00 +0.050 A ATOM 30 C LIG 1 7.244 0.946 1.362 0.00 0.00 +0.014 A ATOM 31 C LIG 1 6.494 1.710 2.253 0.00 0.00 +0.001 A ATOM 32 C LIG 1 5.137 1.923 2.013 0.00 0.00 +0.001 A ATOM 33 C LIG 1 7.416 -0.415 -0.714 0.00 0.00 +0.272 A ATOM 34 O LIG 1 8.611 -0.622 -0.540 0.00 0.00 -0.266 OA ATOM 35 N LIG 1 6.732 -0.917 -1.794 0.00 0.00 -0.242 N ATOM 36 H LIG 1 7.261 -1.476 -2.458 0.00 0.00 +0.192 HD ATOM 37 C LIG 1 4.525 1.373 0.882 0.00 0.00 +0.010 A ATOM 38 N LIG 1 5.412 -0.737 -2.062 0.00 0.00 -0.175 NA ENDBRANCH 26 27 ENDBRANCH 6 26 TORSDOF 4